1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine

C15H17NO2S2 — CID 61473437

IUPAC1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(Cc1ccsc1)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H17NO2S2/c1-11(8-12-6-7-19-9-12)16-14-10-20(17,18)15-5-3-2-4-13(14)15/h2-7,9,11,14,16H,8,10H2,1H3
InChIKeyXKSDXQBZQGBBDV-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.80
Rot. Bonds4

About 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine

1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 61473437) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID61473437
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(Cc1ccsc1)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C15H17NO2S2/c1-11(8-12-6-7-19-9-12)16-14-10-20(17,18)15-5-3-2-4-13(14)15/h2-7,9,11,14,16H,8,10H2,1H3
InChIKeyXKSDXQBZQGBBDV-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine with MolForge

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Related Compounds

1,1-dioxo-N-(2-thiophen-3-ylethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 61474858
3-(1-thiophen-3-ylpropan-2-ylamino)azepan-2-one
CID 54953284
1,1-dioxo-N-thiophen-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 66351028
N-butan-2-yl-3-[(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)amino]propanamide
CID 61022571
2-(1-thiophen-3-ylpropan-2-ylamino)cyclopentan-1-ol
CID 61473631
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43522871
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 54953167

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine (CID 61473437) is 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine is CC(Cc1ccsc1)NC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is XKSDXQBZQGBBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-11(8-12-6-7-19-9-12)16-14-10-20(17,18)15-5-3-2-4-13(14)15/h2-7,9,11,14,16H,8,10H2,1H3.
What are the key properties of 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine?
1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 307.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1-thiophen-3-ylpropan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 61473437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).